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Details

Stereochemistry ACHIRAL
Molecular Formula C30H22F2N6O3
Molecular Weight 552.5309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERESTINIB

SMILES

CN1N=CC2=C1C=C(C3=CNN=C3)C(OC4=C(F)C=C(NC(=O)C5=CC=C(C)N(C5=O)C6=CC=C(F)C=C6)C=C4)=C2

InChI

InChIKey=QHADVLVFMKEIIP-UHFFFAOYSA-N
InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)

HIDE SMILES / InChI

Molecular Formula C30H22F2N6O3
Molecular Weight 552.5309
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/27307295 https://www.ncbi.nlm.nih.gov/pubmed/23989980

Merestinib (LY2801653) is a small molecule that has been shown in vitro to be a reversible type II ATP-competitive slowoff inhibitor of MET tyrosine kinase with a dissociation constant (Ki) of 2 nM, a pharmacodynamic residence time (Koff) of 0.00132 min−1 and a half-life (t1/2) of 525 min. Preclinical testing also has shown merestinib to inhibit several other receptor tyrosine oncokinases including MST1R, FLT3, AXL, MERTK, TEK, ROS1, NTRK1/2/3, and DDR1/2 and the serine/threonine kinases MKNK1/2. Merestinib is being investigated in a phase II clinical trials in patients with biliary tract cancer, non-small cell lung cancer and solid tumours.

Originator

Curator's Comment: # Eli Lilly

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.0 nM [Ki]
Conditions

Conditions

Overview

Overview

CYP3A4CYP2C9CYP2D6hERG



OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

Merestinib at the recommended phase II dose of 120 mg by mouth daily.
Route of Administration: Oral
Merestinib, in the concentration range of 0.01–10 uM, completely blocked the HGF-induced DU-145 cell scattering.
Substance Class Chemical
Created
by admin
on Thu Jul 06 22:22:04 UTC 2023
Edited
by admin
on Thu Jul 06 22:22:04 UTC 2023
Record UNII
5OGS5K699E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MERESTINIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
3-PYRIDINECARBOXAMIDE, N-(3-FLUORO-4-((1-METHYL-6-(1H-PYRAZOL-4-YL)-1H-INDAZOL-5-YL)OXY)PHENYL)-1-(4-FLUOROPHENYL)-1,2-DIHYDRO-6-METHYL-2-OXO-
Systematic Name English
LY-2801653
Code English
MERESTINIB [USAN]
Common Name English
merestinib [INN]
Common Name English
LY2801653
Code English
N-(3-Fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Systematic Name English
Merestinib [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
NCI_THESAURUS C1967
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
FDA ORPHAN DRUG 563316
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
Code System Code Type Description
WIKIPEDIA
Merestinib
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
SMS_ID
100000166614
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
PUBCHEM
44603533
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
NCI_THESAURUS
C95729
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
DRUG BANK
DB12381
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545307
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
FDA UNII
5OGS5K699E
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
CAS
1206799-15-6
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
INN
10107
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID20659635
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
USAN
BC-72
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
EVMPD
SUB180789
Created by admin on Thu Jul 06 22:22:06 UTC 2023 , Edited by admin on Thu Jul 06 22:22:06 UTC 2023
PRIMARY
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